SCHEMBL60274

SCHEMBL60274

CON(C)C(=O)[C@H](C(C)C)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.32
JAK3 P52333 1/20 0.31
BTK Q06187 1/20 0.31
AAK1 Q2M2I8 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12201977 1.00 FAAH (0.32) FAAHJAK3BTKAAK1
SCHEMBL22965941 0.83 FAAH (0.33) FAAHJAK3BTKAAK1
SCHEMBL25745260 0.83 FAAH (0.33) FAAHJAK3BTKAAK1
SCHEMBL8647813 0.83 FAAH (0.33) FAAHJAK3BTKAAK1
SCHEMBL13682813 0.79 CA12 (0.38) AAK1
SCHEMBL7020025 0.79 CA12 (0.38) AAK1
SCHEMBL23428809 0.79 CA1 (0.33) AAK1
SCHEMBL59435 0.79 CA1 (0.33) AAK1
SCHEMBL67120 0.79 CA1 (0.33) AAK1
SCHEMBL2160514 0.79 CA1 (0.33) AAK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374454-B1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI R&D MAN CO LTD (JP) 2016-05-11 EP disclosed
US-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD (JP) 2014-10-16 US disclosed
US-8633224-B2 Hemiasterlin derivatives and uses thereof in the treatment of cancer EISAI CO., LTD. (JP) 2014-01-21 US disclosed
US-8129407-B2 Hemiasterlin derivatives and uses thereof in the treatment of cancer EISAI INC. (US) 2012-03-06 US disclosed
US-8129407-B2 Hemiasterlin derivatives and uses thereof in the treatment of cancer EISAI INC. (US) 2012-03-06 US disclosed
US-7772397-B2 Biologically active peptides and compositions, their use UNIVERSITY OF BRITISH COLUMBIA (CA) 2010-08-10 US disclosed
US-7772397-B2 Biologically active peptides and compositions, their use UNIVERSITY OF BRITISH COLUMBIA (CA) 2010-08-10 US disclosed
US-20100063095-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD. (JP) 2010-03-11 US disclosed
US-20100063095-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD. (JP) 2010-03-11 US disclosed
US-20090264487-A1 HEMIASTERLIN ANALOGS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2009-10-22 US disclosed
US-7410951-B2 Biologically active peptides and compositions, their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2008-08-12 US disclosed
US-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof EISAI CO., LTD. (JP) 2008-05-08 US disclosed
US-20080051434-A1 synthetic analog of Hemiasterlin; anticarcinogenic agent; restenosis of blood vessels subject to traumas such as angioplasty and stenting; safe and effective, while retaining stability in biological media; exhibit low cytotoxicity to non-dividing normal cells EISAI CO., LTD. (JP) 2008-02-28 US disclosed
US-20080051434-A1 synthetic analog of Hemiasterlin; anticarcinogenic agent; restenosis of blood vessels subject to traumas such as angioplasty and stenting; safe and effective, while retaining stability in biological media; exhibit low cytotoxicity to non-dividing normal cells EISAI CO., LTD. (JP) 2008-02-28 US disclosed
US-7192972-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2007-03-20 US disclosed
US-7192972-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2007-03-20 US disclosed
EP-1531846-A4 CONJUGATES OF LIGAND, LINKER AND CYTOTOXIC AGENT AND RELATED COMPOSITIONS AND METHODS OF USE US GOV HEALTH & HUMAN SERV (US) 2006-04-19 EP disclosed
US-20050171014-A1 Conjugates of ligand linker and cytotoxic agent and related composition and methods of use GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH (US) 2005-08-04 US disclosed
EP-1531846-A2 CONJUGATES OF LIGAND, LINKER AND CYTOTOXIC AGENT AND RELATED COMPOSITIONS AND METHODS OF USE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-05-25 EP disclosed
WO-2003072754-A2 CONJUGATES OF LIGAND, LINKER AND CYTOTOXIC AGENT AND RELATED COMPOSITIONS AND METHODS OF USE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2003-09-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100063095-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS FAAH 3749/4885JAK3 4817/4885BTK 4435/4885
US-20090264487-A1 HEMIASTERLIN ANALOGS NUMA1, CYP11A1, PDS5A FAAH 3911/4885JAK3 4842/4885BTK 4849/4885
US-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof DHCR7, HSD17B7, HCCS FAAH 3481/4885JAK3 4844/4885BTK 4513/4885
US-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS FAAH 3749/4885JAK3 4817/4885BTK 4435/4885
US-20050171014-A1 Conjugates of ligand linker and cytotoxic agent and related composition and methods of use VCL, SELPLG, L3MBTL1 FAAH 755/4885JAK3 4598/4885BTK 2075/4885
US-20080051434-A1 synthetic analog of Hemiasterlin; anticarcinogenic agent; restenosis of blood vessels subject to traumas such as angioplasty and stenting; safe and effective, while retaining stability in biological media; exhibit low cytotoxicity to non-dividing normal cells DHCR7, CYP46A1, NR1H2 FAAH 2554/4885JAK3 4793/4885BTK 3572/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.